7NES

Crystal structure of the v-Src SH3 domain N117D-V124L mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976251
Spacegroup name	P 32 2 1
Unit cell lengths	37.171, 37.171, 65.824
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.590 - 1.350
R-factor	0.1593
Rwork	0.158
R-free	0.18270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (dev-3951)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.590	18.590	1.370
High resolution limit [Å]	1.350	7.390	1.350
Rmerge	0.045	0.028	0.761
Rmeas	0.049	0.030	0.815
Rpim	0.018	0.012	0.290
Total number of observations		519	4717
Number of reflections	12108	91	600
<I/σ(I)>	18.1	55.2	2.5
Completeness [%]	100.0	95.6	100
Redundancy	7.6	5.7	7.9
CC(1/2)	1.000	0.999	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	288	2.8M ammonium sulfate, 0.5M glycine and 0.1M HEPES